2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine

C20H23N5O3 — CID 67386782

IUPAC2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine
SMILESCOc1ccc(-c2cc(N/C(N)=N/Cc3c(OC)cccc3OC)n[nH]2)cc1
InChIInChI=1S/C20H23N5O3/c1-26-14-9-7-13(8-10-14)16-11-19(25-24-16)23-20(21)22-12-15-17(27-2)5-4-6-18(15)28-3/h4-11H,12H2,1-3H3,(H4,21,22,23,24,25)
InChIKeyHCWSBRZLZCRGJW-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.03
Rot. Bonds7

About 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine

2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine (PubChem CID 67386782) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine.

Molecular Properties

Compound Name2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine
PubChem CID67386782
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine
SMILESCOc1ccc(-c2cc(N/C(N)=N/Cc3c(OC)cccc3OC)n[nH]2)cc1
InChIInChI=1S/C20H23N5O3/c1-26-14-9-7-13(8-10-14)16-11-19(25-24-16)23-20(21)22-12-15-17(27-2)5-4-6-18(15)28-3/h4-11H,12H2,1-3H3,(H4,21,22,23,24,25)
InChIKeyHCWSBRZLZCRGJW-UHFFFAOYSA-N
XLogP3.03
TPSA106.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine
CID 67532325
1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-[(2,6-dimethoxyphenyl)methyl]guanidine
CID 87380445
1-isoquinolin-3-yl-2-[(2-methoxyphenyl)methyl]guanidine
CID 67531748
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide
CID 110478313
1-(3-ethylphenyl)-2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]guanidine;hydroiodide
CID 111101572
1-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-[(2,6-dimethoxyphenyl)methyl]guanidine
CID 87381012
1-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-[(2,6-dimethoxyphenyl)methyl]guanidine
CID 87380484
2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine
CID 67532251
2-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)guanidine;hydrobromide
CID 67386436
2-[(2,6-dimethoxyphenyl)methyl]-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)guanidine;hydrobromide
CID 67386826
2-[(2,6-dimethoxyphenyl)methyl]-1-(4-propan-2-yl-1,3-thiazol-2-yl)guanidine
CID 67387075
1-[4-(3-chloro-2-pyridinyl)-1,3-thiazol-2-yl]-2-[(2,6-dimethoxyphenyl)methyl]guanidine
CID 87380543

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine?
The IUPAC name of 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine (CID 67386782) is 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine.
What is the SMILES notation for 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine?
The canonical SMILES for 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine is COc1ccc(-c2cc(N/C(N)=N/Cc3c(OC)cccc3OC)n[nH]2)cc1.
What is the InChIKey of 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine?
The InChIKey is HCWSBRZLZCRGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-26-14-9-7-13(8-10-14)16-11-19(25-24-16)23-20(21)22-12-15-17(27-2)5-4-6-18(15)28-3/h4-11H,12H2,1-3H3,(H4,21,22,23,24,25).
What are the key properties of 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine?
2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine has a molecular weight of 381.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine is sourced from PubChem (CID 67386782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).